| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410068 | Journal of Molecular Structure | 2011 | 4 Pages |
Abstract
The new method of the electronegativity equalization of atoms in molecules and crystals based on Mulliken’ scale is proposed. Calculating the atomic charges by this method gives results which are in accordance with the chemical intuition and empirical estimations.
► The natural variation of atomic radii occurs at a change their charges. ► New principle of the electronegativity equalization of the bonded atoms by changing their sizes is stated. ► This principle allows determine the sizes and charges of atoms in molecules and crystals.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Stepan S. Batsanov,